HRID1219822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7969

Benzenethiol

C6H6S

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：Oc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-c3ccc(O)cc3O)n2)c(O)c1

HCID135828187

4,4′-[6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[1,3-benzenediol]

C21H14ClN3O4

PRODUCTS

生成物

结构：Oc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)nc(-c3ccc(O)cc3O)n2)c(O)c1

HCID135838255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4aba6a94663f4cc1be7d8025faa4a26f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:22]3[c:23]([OH:29])[cH:24][c:25]([OH:28])[cH:26][cH:27]3)[n:11][c:12](-[c:14]3[c:15]([OH:21])[cH:16][c:17]([OH:20])[cH:18][cH:19]3)[n:13]2)[cH:6][cH:7]1.[I-:37].[K+:34].[K+:35].[K+:36].[OH2:45].[SH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:2]1([S:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10](-[c:22]3[c:23]([OH:29])[cH:24][c:25]([OH:28])[cH:26][cH:27]3)[n:11][c:12](-[c:14]3[c:15]([OH:21])[cH:16][c:17]([OH:20])[cH:18][cH:19]3)[n:13]2)[cH:6][cH:7]1